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Name |
L-Leucine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl- (9CI) |
EINECS | N/A |
CAS No. | 38972-95-1 | Density | 1.13g/cm3 |
PSA | 104.73000 | LogP | 3.72480 |
Solubility | N/A | Melting Point |
130-131℃ |
Formula | C20H30N2O5 | Boiling Point | 598 °C at 760 mmHg |
Molecular Weight | 378.4626 | Flash Point | 315.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
L-Leucine,N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]-;NSC 333751; |
The L-Leucine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl- (9CI), with CAS registry number 38972-95-1, belongs to the following product categories: (1)Dipeptides; (2)Dipeptides and Tripeptides; (3)Peptides. It has the systematic name of N-[(benzyloxy)carbonyl]isoleucylleucine. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C20H30N2O5.
Physical properties of L-Leucine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl- (9CI): (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 4.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.53; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 101.78 cm3; (15)Molar Volume: 334.6 cm3; (16)Polarizability: 40.35×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 315.5 °C; (20)Enthalpy of Vaporization: 93.66 kJ/mol; (21)Boiling Point: 598 °C at 760 mmHg; (22)Vapour Pressure: 3.77E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C
(2)InChI: InChI=1/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
(3)InChIKey: BSRAGXJNZJMFMY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
(5)Std. InChIKey: BSRAGXJNZJMFMY-UHFFFAOYSA-N